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Sugi Predict / Compounds / SCHEMBL3729786

SCHEMBL3729786

SCHEMBL3729786

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ PREP P48147 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18668909 1.00 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL13039839 1.00 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL25267488 0.96 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL25213952 0.96 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL3729227 0.91 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL3730561 0.88 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL17269940 0.85 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL21074187 0.85 CA1 (0.43) CTSKCTSSCA2CA1CA7
SCHEMBL18668952 0.85 CA1 (0.43) CTSKCTSSCA2CA1CA7
SCHEMBL13261285 0.84 CTSK (0.49) CTSKCTSSCA2CA1CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116843-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID SALTS XWPHARMA LTD (KY) 2026-04-30 — — US disclosed
US-12612357-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2026-04-28 — — US disclosed
EP-4584240-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID XWPharma Ltd. (KY) 2025-07-16 — — EP disclosed
US-20240351975-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2024-10-24 — — US disclosed
EP-4077262-B1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPHARMA LTD (KY) 2024-07-24 — — EP disclosed
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2024-07-09 — — US disclosed
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2024-07-09 — — US disclosed
US-20240092727-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID XWPharma Ltd. (KY) 2024-03-21 — — US disclosed
WO-2024054400-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID XWPharma Ltd. (US) 2024-03-14 — — WO disclosed
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2023-11-09 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 — — US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 — — EP disclosed
EP-1123935-A2 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2001-08-16 — — EP disclosed
EP-0988304-B1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2001-05-02 — — EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 — — WO disclosed
EP-0988304-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2000-03-29 — — EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — WO disclosed
WO-1999009031-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 1999-02-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240351975-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 CTSK 4539/4885CTSS 4280/4885CA2 2007/4885
US-12612357-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABRB1, GABBR2 CTSK 2875/4885CTSS 1316/4885CA2 516/4885
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 CTSK 4539/4885CTSS 4280/4885CA2 2007/4885
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 CTSK 4539/4885CTSS 4280/4885CA2 2007/4885
US-20240092727-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID LIPA, CRYAA, ALB CTSK 2129/4885CTSS 1564/4885CA2 89/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSK 3753/4885CTSS 2072/4885CA2 1486/4885
US-20260116843-A1 CRYSTALLINE 4-((L-VALYL)OXY)BUTANOIC ACID SALTS SNCA, CCKBR, GABBR1 CTSK 283/4885CTSS 414/4885CA2 440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.